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Home > Other Heterocycles > 653603-15-7
653603-15-7 | 2-Azabicyclo[2.2.1]heptane-3-thione
CAS No: 653603-15-7 Catalog No: AG006RYL MDL No:
Product Description
Catalog Number:
AG006RYL
Chemical Name:
2-Azabicyclo[2.2.1]heptane-3-thione
CAS Number:
653603-15-7
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
IUPAC Name:
2-azabicyclo[2.2.1]heptane-3-thione
InChI:
InChI=1S/C6H9NS/c8-6-4-1-2-5(3-4)7-6/h4-5H,1-3H2,(H,7,8)
InChI Key:
FVRSFOCASMKKEG-UHFFFAOYSA-N
SMILES:
S=C1NC2CC1CC2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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